SCHEMBL23196396

SCHEMBL23196396

C#Cc1cccc(Nc2cccc3cc(OCCOC)c(OCCOC)cc23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.72
▸ GAK O14976 5/20 0.72
▸ ERBB2 P04626 6/20 0.66
▸ HDAC1 Q13547 3/20 0.66
▸ ILK Q13418 2/20 0.62
▸ PLK4 O00444 1/20 0.62
▸ CIT O14578 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ EPHB6 O15197 1/20 0.62
▸ SLC22A1 O15245 1/20 0.62
▸ DAPK3 O43293 1/20 0.62
▸ RIPK2 O43353 1/20 0.62
▸ BUB1 O43683 1/20 0.62
▸ KDM1A O60341 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ RPS6KA4 O75676 1/20 0.62
▸ STK17B O94768 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ SLCO2B1 O94956 1/20 0.62
▸ ABCB11 O95342 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13847566 0.90 EGFR (0.62) EGFRGAKERBB2HDAC1ILK
SCHEMBL20127272 0.88 EGFR (0.57) EGFRGAKERBB2HDAC1ILK
SCHEMBL29749690 0.84 EGFR (1.00) EGFRGAKERBB2HDAC1ILK
SCHEMBL13824816 0.84 EGFR (1.00) EGFRGAKERBB2HDAC1ILK
Hydrochloric Acid SCHEMBL29785616 0.83 EGFR (0.98) EGFRGAKERBB2HDAC1ILK
SCHEMBL13815419 0.81 EGFR (0.67) EGFRGAKERBB2HDAC1ILK
Hydrochloric Acid SCHEMBL29785631 0.80 EGFR (0.72) EGFRGAKERBB2HDAC1ILK
Erlotinib SCHEMBL3667407 0.77 EGFR (1.00) EGFRGAKERBB2HDAC1ILK
SCHEMBL6070549 0.77 EGFR (0.62) EGFRGAKERBB2ILKPLK4
Erlotinib SCHEMBL29351329 0.77 EGFR (1.00) EGFRGAKERBB2HDAC1ILK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210100802-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. (US) 2021-04-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210100802-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ERBB2, EGFR, ERBB3 EGFR 2/4885GAK 103/4885ERBB2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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